Refactor output format of pchg, change output precision from 11 to 6#6970
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mohanchen wants to merge 51 commits intodeepmodeling:developfrom
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Refactor output format of pchg, change output precision from 11 to 6#6970mohanchen wants to merge 51 commits intodeepmodeling:developfrom
mohanchen wants to merge 51 commits intodeepmodeling:developfrom
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1. Remove #ifdef __MPI from timer code, encapsulate in timer_wrapper.h 2. Move ESolver clean logic to after_all_runners method 3. Replace clean_esolver calls with direct delete p_esolver 4. Remove #ifdef __MPI from delete p_esolver 5. Add Cblacs_exit(1) in after_all_runners for LCAO calculations
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Update pchg, change output precision from 11 to 6